==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 02-MAR-12 4E01 . COMPND 2 MOLECULE: [3-METHYL-2-OXOBUTANOATE DEHYDROGENASE [LIPOAMIDE . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR S.C.TSO,J.L.CHUANG,W.J.GUI,R.M.WYNN,J.LI,D.T.CHUANG . 308 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15815.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 18 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 140 45.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 0 0 0 0 0 0 1 1 0 0 0 0 1 0 1 2 0 0 0 0 0 1 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 2 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 40 A L 0 0 146 0, 0.0 5,-0.3 0, 0.0 307,-0.2 0.000 360.0 360.0 360.0 162.1 4.8 -21.9 24.5 2 41 A T B > -A 5 0A 15 3,-3.9 3,-1.9 1,-0.1 2,-0.1 -0.655 360.0 -33.1-130.2-173.9 3.6 -21.6 20.9 3 42 A P T 3 S- 0 0 39 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.255 122.9 -30.6 -54.7 116.4 1.4 -19.0 19.1 4 43 A T T 3 S+ 0 0 140 -2,-0.1 2,-0.4 1,-0.1 0, 0.0 0.651 129.3 95.1 52.4 17.5 -1.2 -17.6 21.5 5 44 A M B < -A 2 0A 3 -3,-1.9 -3,-3.9 2,-0.0 2,-0.4 -0.999 62.6-152.1-144.1 133.2 -1.0 -21.1 23.0 6 45 A M - 0 0 83 -2,-0.4 2,-0.8 -5,-0.3 0, 0.0 -0.913 8.8-146.4-115.3 135.9 1.1 -22.5 25.9 7 46 A L - 0 0 13 -2,-0.4 2,-0.4 130,-0.0 127,-0.0 -0.880 27.6-132.5 -95.8 110.0 2.3 -26.0 26.4 8 47 A Y - 0 0 60 -2,-0.8 13,-0.0 1,-0.1 -2,-0.0 -0.475 24.8-178.0 -70.8 117.4 2.3 -26.6 30.2 9 48 A S + 0 0 67 -2,-0.4 -1,-0.1 141,-0.1 141,-0.1 0.274 38.3 131.9 -97.4 10.3 5.5 -28.2 31.4 10 49 A G - 0 0 39 7,-0.1 2,-0.4 139,-0.0 -2,-0.0 -0.311 38.3-163.8 -68.3 142.9 4.4 -28.5 35.0 11 50 A R - 0 0 165 -2,-0.0 2,-0.3 138,-0.0 -2,-0.1 -0.956 10.7-177.1-121.8 146.3 4.8 -31.6 37.0 12 51 A S - 0 0 45 -2,-0.4 3,-0.3 1,-0.1 6,-0.1 -1.000 31.4-136.3-149.4 145.6 2.9 -32.3 40.2 13 52 A Q S S+ 0 0 168 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 0.945 106.3 44.6 -62.7 -52.9 2.6 -35.0 42.9 14 53 A D S S- 0 0 109 1,-0.1 -1,-0.2 3,-0.0 0, 0.0 0.611 112.3-114.4 -71.0 -11.8 -1.1 -35.1 43.3 15 54 A G S >> S+ 0 0 13 -3,-0.3 3,-1.4 3,-0.0 4,-1.0 0.605 74.2 138.9 83.2 13.7 -1.6 -35.1 39.5 16 55 A S H 3> + 0 0 45 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.700 61.4 67.2 -62.0 -20.1 -3.3 -31.7 39.9 17 56 A H H 3> S+ 0 0 40 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.780 94.9 55.0 -74.7 -26.3 -1.4 -30.7 36.7 18 57 A L H <> S+ 0 0 16 -3,-1.4 4,-2.7 2,-0.2 -1,-0.2 0.890 108.9 48.4 -70.2 -40.5 -3.4 -33.1 34.6 19 58 A L H X S+ 0 0 42 -4,-1.0 4,-2.6 2,-0.2 5,-0.2 0.936 112.2 48.5 -61.1 -47.6 -6.5 -31.5 35.9 20 59 A K H X S+ 0 0 89 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.922 112.9 48.6 -60.2 -44.6 -5.1 -28.0 35.1 21 60 A S H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.946 112.0 47.6 -59.9 -51.3 -4.1 -29.2 31.6 22 61 A G H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.906 111.6 50.6 -57.9 -44.5 -7.5 -30.7 30.9 23 62 A R H X S+ 0 0 134 -4,-2.6 4,-0.9 2,-0.2 -1,-0.2 0.878 108.9 53.0 -60.9 -38.6 -9.3 -27.6 32.1 24 63 A Y H >X S+ 0 0 15 -4,-2.1 4,-2.6 -5,-0.2 3,-1.1 0.953 108.0 49.3 -63.1 -50.0 -7.0 -25.5 29.9 25 64 A L H 3X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.879 107.1 57.0 -51.9 -41.4 -7.9 -27.6 26.8 26 65 A Q H 3< S+ 0 0 38 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.703 112.9 39.3 -71.0 -20.5 -11.6 -27.2 27.6 27 66 A Q H S+ 0 0 17 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.905 109.6 49.7 -57.8 -38.4 -13.8 -25.0 21.6 31 70 A V H X S+ 0 0 74 -4,-0.5 4,-2.0 -3,-0.2 -2,-0.2 0.921 112.4 47.0 -62.6 -45.3 -12.9 -21.4 20.7 32 71 A R H X S+ 0 0 28 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.900 113.4 47.4 -65.6 -42.3 -10.3 -22.6 18.1 33 72 A I H X S+ 0 0 10 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.919 109.1 55.7 -62.1 -44.2 -12.7 -25.1 16.6 34 73 A A H X S+ 0 0 39 -4,-2.6 4,-2.1 -5,-0.3 -2,-0.2 0.880 105.8 51.2 -56.5 -39.9 -15.4 -22.4 16.5 35 74 A H H X S+ 0 0 111 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.874 109.5 49.7 -65.5 -37.6 -13.0 -20.1 14.5 36 75 A R H X S+ 0 0 21 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.883 108.1 53.6 -68.7 -37.3 -12.4 -22.9 12.0 37 76 A I H X S+ 0 0 13 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.912 106.8 51.5 -61.5 -41.0 -16.1 -23.5 11.7 38 77 A K H X S+ 0 0 144 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.893 106.8 56.2 -62.4 -37.0 -16.6 -19.8 10.9 39 78 A G H X S+ 0 0 16 -4,-1.7 4,-0.6 1,-0.2 3,-0.2 0.890 107.1 47.0 -58.4 -44.2 -13.8 -20.4 8.3 40 79 A F H >< S+ 0 0 4 -4,-1.9 3,-0.9 1,-0.2 -2,-0.2 0.896 109.1 55.5 -63.7 -40.3 -15.9 -23.1 6.6 41 80 A R H 3< S+ 0 0 190 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.750 108.5 48.1 -65.2 -26.3 -19.0 -20.9 6.7 42 81 A S H 3< S+ 0 0 90 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.515 82.7 117.4 -93.3 -7.7 -17.1 -18.2 4.8 43 82 A L S << S- 0 0 16 -3,-0.9 5,-0.1 -4,-0.6 -3,-0.0 -0.276 85.6 -84.0 -55.3 145.1 -15.7 -20.4 2.1 44 83 A P >> - 0 0 30 0, 0.0 4,-2.8 0, 0.0 3,-1.2 -0.297 44.4-115.3 -50.8 136.1 -17.0 -19.5 -1.4 45 84 A F H 3> S+ 0 0 170 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.822 112.7 53.7 -43.5 -48.1 -20.4 -21.2 -1.8 46 85 A I H 34 S+ 0 0 81 1,-0.2 -1,-0.3 2,-0.2 4,-0.3 0.825 114.6 41.4 -67.7 -30.1 -19.3 -23.5 -4.7 47 86 A I H X4 S+ 0 0 0 -3,-1.2 3,-1.6 2,-0.2 6,-0.2 0.900 112.0 54.3 -78.1 -45.4 -16.4 -24.8 -2.6 48 87 A G H 3< S+ 0 0 17 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.762 103.8 58.8 -59.0 -24.8 -18.4 -25.1 0.6 49 88 A C T 3< S+ 0 0 62 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.637 76.5 113.3 -81.1 -15.6 -20.9 -27.2 -1.3 50 89 A N S <> S- 0 0 38 -3,-1.6 4,-2.9 -4,-0.3 5,-0.2 -0.335 71.6-132.3 -56.9 133.0 -18.3 -29.8 -2.2 51 90 A P H > S+ 0 0 100 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.859 105.0 48.9 -63.5 -33.5 -19.3 -33.0 -0.4 52 91 A T H > S+ 0 0 42 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.908 112.5 47.9 -71.5 -39.7 -15.8 -33.7 0.9 53 92 A I H > S+ 0 0 1 -6,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.939 111.0 52.6 -62.2 -43.6 -15.5 -30.1 2.2 54 93 A L H X S+ 0 0 68 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.878 105.5 55.0 -58.3 -40.0 -19.0 -30.5 3.7 55 94 A H H X S+ 0 0 83 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.925 110.7 43.6 -58.8 -46.1 -17.8 -33.7 5.5 56 95 A V H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.918 111.5 54.5 -68.0 -41.9 -14.9 -31.9 7.1 57 96 A H H X S+ 0 0 33 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.959 110.6 46.4 -53.4 -51.3 -17.1 -29.0 8.0 58 97 A E H X S+ 0 0 118 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.871 108.0 56.4 -60.0 -40.0 -19.4 -31.4 9.7 59 98 A L H X S+ 0 0 13 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.917 108.5 47.8 -57.0 -44.7 -16.5 -33.1 11.5 60 99 A Y H X S+ 0 0 8 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.884 110.9 49.9 -65.2 -39.0 -15.5 -29.8 13.0 61 100 A I H X S+ 0 0 58 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.931 111.8 49.4 -63.4 -43.3 -19.1 -29.0 14.1 62 101 A R H X S+ 0 0 87 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.878 109.5 51.4 -64.1 -39.8 -19.2 -32.5 15.7 63 102 A A H X S+ 0 0 3 -4,-2.4 4,-2.3 2,-0.2 5,-0.3 0.934 110.8 48.7 -61.4 -46.6 -15.9 -31.8 17.4 64 103 A F H X S+ 0 0 71 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.934 111.8 49.6 -58.4 -46.1 -17.2 -28.5 18.8 65 104 A Q H X S+ 0 0 103 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.911 111.6 47.7 -60.4 -44.3 -20.4 -30.2 20.0 66 105 A K H X S+ 0 0 50 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.893 113.4 46.3 -66.5 -41.9 -18.6 -33.0 21.8 67 106 A L H < S+ 0 0 2 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.921 115.9 45.6 -66.9 -42.5 -16.1 -30.8 23.6 68 107 A T H < S+ 0 0 66 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.824 110.9 53.8 -72.9 -28.8 -18.8 -28.4 24.6 69 108 A D H < S+ 0 0 130 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.757 85.9 101.5 -71.7 -26.7 -21.1 -31.3 25.7 70 109 A F S < S- 0 0 38 -4,-1.2 3,-0.1 -3,-0.3 -3,-0.0 -0.427 79.7-115.9 -66.5 129.4 -18.3 -32.7 28.0 71 110 A P - 0 0 67 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.094 42.0 -74.9 -62.9 161.5 -18.9 -31.8 31.6 72 111 A P - 0 0 100 0, 0.0 2,-0.7 0, 0.0 -49,-0.1 -0.315 52.7-113.6 -52.9 133.5 -16.6 -29.5 33.7 73 112 A I + 0 0 19 1,-0.2 3,-0.1 -3,-0.1 -50,-0.1 -0.654 50.7 156.7 -77.7 111.0 -13.5 -31.5 34.6 74 113 A K + 0 0 129 -2,-0.7 2,-0.3 1,-0.2 -1,-0.2 0.756 57.0 5.8-104.6 -32.5 -13.6 -31.9 38.4 75 114 A D S > S- 0 0 73 -56,-0.0 4,-2.3 1,-0.0 3,-0.2 -0.849 82.6 -85.4-148.0 176.9 -11.4 -34.9 39.2 76 115 A Q H > S+ 0 0 82 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.823 122.5 60.3 -61.4 -31.3 -9.0 -37.5 37.8 77 116 A A H > S+ 0 0 66 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.947 108.0 42.9 -59.4 -51.1 -12.0 -39.7 36.8 78 117 A D H > S+ 0 0 35 1,-0.2 4,-2.9 -3,-0.2 -2,-0.2 0.925 112.9 53.3 -58.6 -46.3 -13.4 -36.9 34.6 79 118 A E H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.884 105.8 53.5 -60.4 -39.2 -9.9 -36.2 33.2 80 119 A A H X S+ 0 0 43 -4,-2.4 4,-1.0 2,-0.2 -1,-0.2 0.919 111.3 45.7 -61.0 -44.0 -9.5 -39.9 32.3 81 120 A Q H >X S+ 0 0 118 -4,-1.7 4,-1.6 1,-0.2 3,-0.6 0.912 108.8 56.8 -64.2 -43.4 -12.7 -39.8 30.3 82 121 A Y H 3X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.882 101.5 56.3 -54.9 -40.7 -11.7 -36.5 28.7 83 122 A C H 3X S+ 0 0 6 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.829 102.7 56.3 -63.4 -32.9 -8.6 -38.2 27.4 84 123 A Q H < S+ 0 0 96 -4,-2.0 3,-1.5 -5,-0.2 4,-0.3 0.910 111.4 52.9 -75.2 -45.4 -8.1 -40.1 15.3 92 131 A D H 3< S+ 0 0 55 -4,-3.2 3,-0.3 1,-0.3 -1,-0.2 0.802 116.5 42.1 -58.5 -30.4 -11.4 -39.0 13.7 93 132 A H T >< S+ 0 0 17 -4,-2.2 3,-1.6 -5,-0.2 -1,-0.3 0.268 80.9 106.5-101.0 10.5 -9.6 -36.0 12.3 94 133 A K T < S+ 0 0 105 -3,-1.5 3,-0.3 1,-0.3 -1,-0.2 0.760 83.0 44.5 -68.2 -25.0 -6.3 -37.7 11.2 95 134 A D T 3> S+ 0 0 84 -3,-0.3 4,-2.3 -4,-0.3 -1,-0.3 0.176 78.9 113.2-100.3 16.6 -7.1 -37.6 7.5 96 135 A V H <> S+ 0 0 0 -3,-1.6 4,-2.6 1,-0.2 5,-0.2 0.884 73.1 52.9 -60.9 -40.3 -8.3 -34.0 7.4 97 136 A V H > S+ 0 0 30 -4,-0.3 4,-2.5 -3,-0.3 -1,-0.2 0.935 111.7 47.4 -60.9 -43.9 -5.5 -32.5 5.4 98 137 A T H > S+ 0 0 75 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.896 111.2 50.8 -60.7 -44.5 -6.1 -35.2 2.7 99 138 A L H X S+ 0 0 45 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.920 112.1 46.6 -61.7 -44.6 -9.8 -34.5 2.7 100 139 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.914 111.0 52.3 -63.7 -43.1 -9.3 -30.8 2.3 101 140 A A H X S+ 0 0 1 -4,-2.5 4,-1.3 -5,-0.2 -2,-0.2 0.934 114.8 43.1 -57.3 -46.9 -6.8 -31.3 -0.5 102 141 A E H X S+ 0 0 80 -4,-2.5 4,-0.6 1,-0.2 3,-0.3 0.932 114.6 47.5 -65.0 -50.2 -9.3 -33.5 -2.3 103 142 A G H X S+ 0 0 0 -4,-3.0 4,-0.5 1,-0.2 -1,-0.2 0.754 117.2 44.4 -64.9 -24.8 -12.4 -31.4 -1.7 104 143 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.696 90.2 85.6 -92.0 -22.2 -10.5 -28.3 -2.8 105 144 A R H < S+ 0 0 94 -4,-1.3 4,-0.2 -3,-0.3 -2,-0.1 0.901 106.9 16.6 -51.7 -56.7 -8.7 -29.6 -5.9 106 145 A E H >< S+ 0 0 82 -4,-0.6 3,-1.8 1,-0.1 4,-0.4 0.918 122.3 58.3 -82.0 -48.1 -11.5 -29.1 -8.5 107 146 A S H >< S+ 0 0 11 -4,-0.5 3,-1.0 1,-0.3 -2,-0.2 0.730 94.5 65.4 -61.0 -26.2 -13.8 -26.7 -6.7 108 147 A R G >< S+ 0 0 27 -4,-2.0 3,-0.8 1,-0.2 -1,-0.3 0.700 91.3 65.1 -72.0 -18.5 -11.1 -24.0 -6.2 109 148 A K G < S+ 0 0 130 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.778 91.1 65.9 -69.9 -25.3 -10.9 -23.5 -10.0 110 149 A H G < S+ 0 0 117 -3,-1.0 -1,-0.2 -4,-0.4 2,-0.2 0.440 92.1 68.7 -84.4 -1.7 -14.4 -22.2 -10.1 111 150 A I S < S- 0 0 25 -3,-0.8 3,-0.1 -4,-0.1 -3,-0.0 -0.613 72.5-138.3-107.6 174.1 -13.8 -19.0 -8.1 112 151 A E S S+ 0 0 166 -2,-0.2 2,-1.0 1,-0.2 -1,-0.1 0.891 82.5 71.9 -98.5 -55.9 -11.8 -15.9 -9.1 113 152 A D > - 0 0 71 1,-0.2 3,-1.1 2,-0.1 4,-0.4 -0.502 56.0-178.7 -67.5 99.6 -9.7 -14.8 -6.1 114 153 A E T >> S+ 0 0 100 -2,-1.0 4,-1.1 1,-0.3 3,-0.6 0.747 76.1 71.5 -73.2 -24.7 -7.1 -17.6 -5.9 115 154 A K H 3> S+ 0 0 160 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.759 85.7 73.7 -57.8 -23.1 -5.6 -16.0 -2.9 116 155 A L H <> S+ 0 0 69 -3,-1.1 4,-2.5 1,-0.2 -1,-0.2 0.914 95.3 43.0 -60.9 -50.7 -8.7 -17.2 -1.1 117 156 A V H <> S+ 0 0 1 -3,-0.6 4,-3.1 -4,-0.4 5,-0.3 0.902 112.5 54.2 -65.6 -40.7 -7.9 -20.9 -0.9 118 157 A R H X S+ 0 0 66 -4,-1.1 4,-2.9 2,-0.2 5,-0.2 0.931 111.4 45.2 -55.6 -49.8 -4.3 -20.2 0.1 119 158 A Y H X S+ 0 0 152 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.930 114.3 48.5 -61.2 -48.3 -5.4 -18.1 3.0 120 159 A F H X S+ 0 0 13 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.914 115.3 43.8 -57.8 -47.5 -8.1 -20.6 4.1 121 160 A L H X S+ 0 0 0 -4,-3.1 4,-3.3 2,-0.2 5,-0.4 0.947 113.9 49.8 -67.3 -46.6 -5.6 -23.5 3.9 122 161 A D H X S+ 0 0 49 -4,-2.9 4,-2.0 -5,-0.3 5,-0.3 0.954 117.8 40.6 -53.0 -53.0 -2.8 -21.7 5.7 123 162 A K H X S+ 0 0 90 -4,-2.6 4,-2.1 -5,-0.2 5,-0.2 0.931 119.7 44.4 -63.8 -46.1 -5.1 -20.6 8.4 124 163 A T H X S+ 0 0 0 -4,-3.0 4,-2.2 -5,-0.3 -2,-0.2 0.923 115.4 45.1 -68.3 -44.7 -7.0 -23.9 8.7 125 164 A L H X S+ 0 0 0 -4,-3.3 4,-2.3 -5,-0.2 -1,-0.2 0.889 115.7 46.4 -69.8 -38.5 -3.9 -26.2 8.6 126 165 A T H X S+ 0 0 14 -4,-2.0 4,-2.4 -5,-0.4 -1,-0.2 0.916 111.9 50.1 -69.7 -42.4 -1.9 -24.2 11.0 127 166 A S H X S+ 0 0 23 -4,-2.1 4,-2.7 -5,-0.3 -2,-0.2 0.931 112.1 50.6 -57.6 -43.7 -4.8 -23.8 13.5 128 167 A R H X S+ 0 0 10 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.903 106.8 52.3 -60.0 -45.2 -5.2 -27.6 13.2 129 168 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.931 111.2 49.0 -56.9 -44.0 -1.5 -28.2 13.9 130 169 A G H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.928 110.7 49.2 -60.7 -48.0 -1.9 -26.0 17.0 131 170 A I H X S+ 0 0 24 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.948 113.1 47.3 -56.6 -48.7 -5.0 -27.9 18.1 132 171 A R H X S+ 0 0 40 -4,-3.0 4,-2.8 1,-0.2 5,-0.3 0.875 110.1 52.6 -64.1 -36.9 -3.2 -31.3 17.6 133 172 A M H X S+ 0 0 1 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.934 112.6 44.6 -62.4 -45.1 -0.1 -30.1 19.4 134 173 A L H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.934 116.3 45.7 -66.3 -46.7 -2.1 -29.1 22.5 135 174 A A H X S+ 0 0 5 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.942 115.5 45.9 -61.1 -49.9 -4.2 -32.2 22.5 136 175 A T H X S+ 0 0 41 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.876 110.3 54.7 -63.7 -37.7 -1.2 -34.5 22.0 137 176 A H H X S+ 0 0 2 -4,-2.5 4,-1.5 -5,-0.3 -1,-0.2 0.934 106.8 51.2 -58.3 -48.2 0.7 -32.7 24.7 138 177 A H H < S+ 0 0 0 -4,-2.2 3,-0.4 1,-0.2 4,-0.3 0.929 112.5 44.9 -57.1 -47.2 -2.1 -33.2 27.2 139 178 A L H >< S+ 0 0 11 -4,-2.0 3,-1.5 1,-0.2 4,-0.3 0.894 110.8 54.5 -62.7 -39.5 -2.2 -36.9 26.5 140 179 A A H >< S+ 0 0 6 -4,-2.4 3,-1.7 1,-0.3 10,-0.5 0.729 89.4 75.9 -70.5 -21.5 1.6 -37.2 26.6 141 180 A L T 3< S+ 0 0 19 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.731 91.4 57.3 -62.8 -19.1 1.6 -35.6 30.0 142 181 A H T < S+ 0 0 83 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.689 93.5 92.5 -78.9 -21.0 0.4 -39.0 31.3 143 182 A E < - 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